2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one

C17H21N5O — CID 126923364

IUPAC2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1CCCN1c1cc2c(nn1)CCCC2
InChIInChI=1S/C17H21N5O/c23-17-8-3-9-18-22(17)12-14-6-4-10-21(14)16-11-13-5-1-2-7-15(13)19-20-16/h3,8-9,11,14H,1-2,4-7,10,12H2
InChIKeyNQPRUCRZPAGGON-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.58
Rot. Bonds3

About 2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one

2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126923364) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126923364
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1CCCN1c1cc2c(nn1)CCCC2
InChIInChI=1S/C17H21N5O/c23-17-8-3-9-18-22(17)12-14-6-4-10-21(14)16-11-13-5-1-2-7-15(13)19-20-16/h3,8-9,11,14H,1-2,4-7,10,12H2
InChIKeyNQPRUCRZPAGGON-UHFFFAOYSA-N
XLogP1.58
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926498
2-[(1-pyrimidin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126923329
2-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924632
2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126923152
2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923210
2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924752
2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923368
2-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924581
2-[[1-(1,2,5-thiadiazol-3-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924803
2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923353
2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924339
2-[[1-(pyridazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924880

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126923364) is 2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one is O=c1cccnn1CC1CCCN1c1cc2c(nn1)CCCC2.
What is the InChIKey of 2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is NQPRUCRZPAGGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c23-17-8-3-9-18-22(17)12-14-6-4-10-21(14)16-11-13-5-1-2-7-15(13)19-20-16/h3,8-9,11,14H,1-2,4-7,10,12H2.
What are the key properties of 2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 311.39 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126923364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).